DATASET
DFT_solute_diffusivity_all.xlsx (113.96 kB)
DOCUMENT
diffusivity_expt_vs_DFT_Ag.pdf (12.13 kB)
DOCUMENT
diffusivity_expt_vs_DFT_Al.pdf (18.69 kB)
DOCUMENT
diffusivity_expt_vs_DFT_Cu.pdf (16.04 kB)
DOCUMENT
diffusivity_expt_vs_DFT_Fe.pdf (14.3 kB)
DOCUMENT
diffusivity_expt_vs_DFT_Mg.pdf (13.04 kB)
DOCUMENT
diffusivity_expt_vs_DFT_Ni.pdf (13.33 kB)
DOCUMENT
diffusivity_expt_vs_DFT_W.pdf (11.54 kB)
DOCUMENT
melting_temperature_vs_FCC_solute_diffusion_barrier.pdf (20.89 kB)
DOCUMENT
mendeleev_number_vs_FCC_solute_diffusion_barrier.pdf (20.82 kB)
DOCUMENT
molar_volume_vs_FCC_solute_diffusion_barrier.pdf (19.24 kB)
DOCUMENT
periodic_group_vs_FCC_solute_diffusion_barrier.pdf (18.79 kB)
DOCUMENT
solute_diffusion_barriers_Fe_W_Mo.pdf (15.89 kB)
DOCUMENT
solute_diffusion_barriers_Mg_Al_Cu_Ni_Pd_Pt.pdf (23.34 kB)
DATASET
experimental_solute_diffusion_values.xlsx (53.87 kB)
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DFT dilute solute diffusion in Al, Cu, Ni, Pd, Pt, Mg, Fe, W, Mo, Au, Ca, Ir, Pb, Ag, Zr
Version 10 2018-12-05, 01:24
Version 9 2018-08-10, 12:53
Version 8 2017-03-07, 18:22
Version 7 2017-03-02, 17:30
Version 6 2017-03-02, 17:10
Version 5 2016-11-18, 17:57
Version 4 2016-07-22, 14:15
Version 3 2016-07-14, 14:43
Version 2 2016-02-03, 19:55
Version 1 2016-01-14, 16:25
dataset
posted on 2018-12-05, 01:24 authored by Dane MorganDane Morgan, Tam Mayeshiba, Dane MorganA total of more than 400 dilute solute diffusion systems in FCC, BCC, and HCP host lattices (Al, Cu, Ni, Pd, Pt, Mg, Fe, W, Mo, Au, Ca, Ir, Pb, Ag and Zr) have been determined using density functional theory (DFT) calculations and multi-frequency diffusion models. This dataset include the jump barriers and attempt frequencies for each solute as well as final Arrhenius diffusion constant, D0, and diffusion activation barrier, Q.
